Citation: Guo Ping LI, Wei Ren XU, Xian Jie LIN, Cheng Bu LIU. Theoretical Study on the Addition Reactions of Benzaldoximes with Propene[J]. Chinese Chemical Letters, ;2006, 17(3): 423-426. shu

Theoretical Study on the Addition Reactions of Benzaldoximes with Propene

1.
Institute of Theoretical Chemistry, Shandong University, Jinan 250100;
2.
Tianjin Institute of Pharmaceutical Research, Tianjin 300193

Received Date: 22 August 2005

Fund Project: This work was supported by the National Natural Science Foundation of China (No. 20373033).

The Michael addition reactions of Z and E benzaldoximes with propene were investigated theoretically by DFT method at B3LYP/6-31G^* level. The calculation results show that both addition reactions are concerted processes accompanied by the migration of hydrogen from the atom oxygen to carbon. Both products Z and E nitrones have dipolar charge distributions and activities. Z isomer is more favorable in the reaction due to the barrier is lower.
- Z-Benzaldoxime,
- E-benzaldoxime,
- Michael addition reaction
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